UCSF

ZINC42906635

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.22 3.45 -119.43 5 3 2 52 238.375 6
Mid Mid (pH 6-8) 1.22 2.24 -42.3 4 3 1 51 237.367 6
Mid Mid (pH 6-8) 1.22 4.3 -26.8 4 3 1 51 237.367 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )